SCHEMBL7090788

SCHEMBL7090788

Cc1cc([S])cc(C)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccncc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CPT1A P50416 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
HDAC3 O15379 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7090735 0.92 MAPT (0.58) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL7087515 0.87 MAPT (0.48) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL7091279 0.87 MAPT (0.48) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL6523435 0.86 MAPT (0.48) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL6512358 0.85 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL6520632 0.84 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL6512258 0.84 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL6512262 0.84 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL6514151 0.84 MAPT (0.47) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL7088514 0.84 MAPT (0.56) MAPTTP53SMN1; SMN2KDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed